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alfaxalone (Q3611058)

From Wikidata
chemical compound
  • 5α-alphaxalone
  • alfadione
  • GR 2/234
  • alphaxolone
  • Alfaxalone
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Language Label Description Also known as
default for all languages
No label defined
    English
    alfaxalone
    chemical compound
    • 5α-alphaxalone
    • alfadione
    • GR 2/234
    • alphaxolone
    • Alfaxalone

    Statements

    chemical structure
    Alphaxolone.svg
    512 × 379; 23 KB
    0 references
    mass
    332.235145 dalton
    1 reference
    stated in
    PubChem
    PubChem CID
    104845
    language of work or name
    English
    title
    Alfaxalone (English)
    retrieved
    3 October 2016
    chemical formula
    C₂₁H₃₂O₃
    1 reference
    stated in
    PubChem
    PubChem CID
    104845
    language of work or name
    English
    title
    Alfaxalone (English)
    retrieved
    19 November 2016
    canonical SMILES
    CC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C
    1 reference
    stated in
    PubChem
    PubChem CID
    104845
    language of work or name
    English
    title
    Alfaxalone (English)
    retrieved
    19 November 2016
    isomeric SMILES
    CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C
    1 reference
    stated in
    PubChem
    PubChem CID
    104845
    language of work or name
    English
    title
    Alfaxalone (English)
    retrieved
    19 November 2016
    Commons category
    Alphaxolone
    0 references

    Identifiers

    EC number
    636-625-6
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.164.405
    retrieved
    27 December 2018
    title
    (1S,2S,5R,7S,10S,11S,14S,15S)-14-acetyl-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-17-one (English)
    quotation
    CAS no.: 23930-19-0 (English)
    ECHA Substance Infocard ID
    100.164.405
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.164.405
    retrieved
    27 December 2018
    title
    (1S,2S,5R,7S,10S,11S,14S,15S)-14-acetyl-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-17-one (English)
    quotation
    CAS no.: 23930-19-0 (English)
    ATC code
    N01AX05
    0 references
    KEGG ID
    C13803
    1 reference
    stated in
    ChEBI
    ChEBI ID
    34531
    language of work or name
    English
    title
    Alphaxolone (English)
    retrieved
    3 October 2016
    PDB ligand ID
    EY4
    0 references
    Freebase ID
    /m/02x51_2
    0 references
     
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